Geometry & MOs

Info

ID:	225783
PubChem CID:	87226080
Reduced:	SN2O3C8H16 (1)
Stoich.:	AB2C3D8E16 (1)
Weight, g/mol:	554.278072
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	3.85
IP(EA), eV:	-9.61(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[cyclohex-2-en-1-yl(ethyl)amino]-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]-N-(oxan-2-yloxy)benzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCN1CCCNC=O

DOS

IR

Vibrations